Geometry & MOs

Info

ID:	122777
PubChem CID:	50821058
Reduced:	FSN3O3C21H26 (1)
Stoich.:	ABC3D3E21F26 (1)
Weight, g/mol:	466.261377
ΔH_f, kcal/mol:	-129.1
Dipole, Da:	4.99
IP(EA), eV:	-9.23(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methoxyphenyl)-N-(2-piperazin-1-ylsulfonylethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N(CCS(=O)(=O)N2CCNCC2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations